General Information of the Compound
| Compound ID |
CP0969813
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| Compound Name |
N-(4-(4-(2,4-difluorophenoxy)piperidin-1-yl)-6-methylpyridin-3-yl)-4-methoxynicotinamide
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| Structure |
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| Formula |
C24H24F2N4O3
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| Molecular Weight |
454.477
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| Canonical SMILES |
COc1ccncc1C(=O)Nc1cnc(C)cc1N1CCC(Oc2ccc(F)cc2F)CC1
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| InChI |
InChI=1S/C24H24F2N4O3/c1-15-11-21(20(14-28-15)29-24(31)18-13-27-8-5-22(18)32-2)30-9-6-17(7-10-30)33-23-4-3-16(25)12-19(23)26/h3-5,8,11-14,17H,6-7,9-10H2,1-2H3,(H,29,31)
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| InChIKey |
GMDCBUDFPYRFJR-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound